ethane;methyl N-ethenylethanimidothioate;propane

C10H23NS — CID 144524047

IUPACethane;methyl N-ethenylethanimidothioate;propane
SMILESC=C/N=C(\C)SC.CC.CCC
InChIInChI=1S/C5H9NS.C3H8.C2H6/c1-4-6-5(2)7-3;1-3-2;1-2/h4H,1H2,2-3H3;3H2,1-2H3;1-2H3/b6-5+;;
InChIKeyYGBWTJXVGOXOQU-TXOOBNKBSA-N
MW189.37 g/mol
LogP4.35
Rot. Bonds1

About ethane;methyl N-ethenylethanimidothioate;propane

ethane;methyl N-ethenylethanimidothioate;propane (PubChem CID 144524047) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is ethane;methyl N-ethenylethanimidothioate;propane.

Molecular Properties

Compound Nameethane;methyl N-ethenylethanimidothioate;propane
PubChem CID144524047
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Nameethane;methyl N-ethenylethanimidothioate;propane
SMILESC=C/N=C(\C)SC.CC.CCC
InChIInChI=1S/C5H9NS.C3H8.C2H6/c1-4-6-5(2)7-3;1-3-2;1-2/h4H,1H2,2-3H3;3H2,1-2H3;1-2H3/b6-5+;;
InChIKeyYGBWTJXVGOXOQU-TXOOBNKBSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethane;methyl N-ethenylethanimidothioate;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-ethenylethanimidothioate;propane?
The IUPAC name of ethane;methyl N-ethenylethanimidothioate;propane (CID 144524047) is ethane;methyl N-ethenylethanimidothioate;propane.
What is the SMILES notation for ethane;methyl N-ethenylethanimidothioate;propane?
The canonical SMILES for ethane;methyl N-ethenylethanimidothioate;propane is C=C/N=C(\C)SC.CC.CCC.
What is the InChIKey of ethane;methyl N-ethenylethanimidothioate;propane?
The InChIKey is YGBWTJXVGOXOQU-TXOOBNKBSA-N. The full InChI is InChI=1S/C5H9NS.C3H8.C2H6/c1-4-6-5(2)7-3;1-3-2;1-2/h4H,1H2,2-3H3;3H2,1-2H3;1-2H3/b6-5+;;.
What are the key properties of ethane;methyl N-ethenylethanimidothioate;propane?
ethane;methyl N-ethenylethanimidothioate;propane has a molecular weight of 189.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-ethenylethanimidothioate;propane is sourced from PubChem (CID 144524047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).